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CAS 13588-95-9 H-LEU-VAL-OH molecular structure lightbox
CAS RN: 13588-95-9

H-LEU-VAL-OH

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Chongqing, Shandong Inquiry
Batchno.20260402 1g In stock Shanghai Inquiry
Batchno.20250920 25g In stock Shanghai Inquiry
Batchno.20250718 5g In stock Shanghai Inquiry
  • Product code: SSC-044470
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13588-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

13588-95-9 / (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoic acid

Standard CAS: 13588-95-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13588-95-9
Multi CAS
No
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N
InChI
InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
InChIKey
MDSUKZSLOATHMH-IUCAKERBSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
61.83
TPSA
92.42

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
XLogP3
-2
Consensus LogP
-0.3
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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